3-(cyanomethylsulfanyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-(cyanomethylsulfanyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(cyanomethylsulfanyl)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(cyanomethylthio)-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(cyanomethylsulfanyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(cyanomethylthio)-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C19H17N3S MolecularWeight: 319.42338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3CCCCC3=C(C(=N2)SCC#N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3CCCCC3=C(C(=N2)SCC#N)C#N

InChI

InChI=1S/C19H17N3S/c1-13-6-8-14(9-7-13)18-16-5-3-2-4-15(16)17(12-21)19(22-18)23-11-10-20/h6-9H,2-5,11H2,1H3